3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide

C20H24N4O3 — CID 136998492

IUPAC3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
SMILESC=CCOc1ccccc1NC(=O)N1CCCC(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C20H24N4O3/c1-3-11-27-18-9-5-4-8-16(18)23-20(26)24-10-6-7-15(13-24)17-12-19(25)22-14(2)21-17/h3-5,8-9,12,15H,1,6-7,10-11,13H2,2H3,(H,23,26)(H,21,22,25)
InChIKeySIEQVCUGCPCAQX-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.05
Rot. Bonds5

About 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide

3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide (PubChem CID 136998492) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
PubChem CID136998492
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
SMILESC=CCOc1ccccc1NC(=O)N1CCCC(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C20H24N4O3/c1-3-11-27-18-9-5-4-8-16(18)23-20(26)24-10-6-7-15(13-24)17-12-19(25)22-14(2)21-17/h3-5,8-9,12,15H,1,6-7,10-11,13H2,2H3,(H,23,26)(H,21,22,25)
InChIKeySIEQVCUGCPCAQX-UHFFFAOYSA-N
XLogP3.05
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988379
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137036839
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535
2-methyl-4-[1-(4-phenylmethoxybutanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136665025
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
2-methyl-4-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706676

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide (CID 136998492) is 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide is C=CCOc1ccccc1NC(=O)N1CCCC(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide?
The InChIKey is SIEQVCUGCPCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-11-27-18-9-5-4-8-16(18)23-20(26)24-10-6-7-15(13-24)17-12-19(25)22-14(2)21-17/h3-5,8-9,12,15H,1,6-7,10-11,13H2,2H3,(H,23,26)(H,21,22,25).
What are the key properties of 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide?
3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 136998492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).